648 Modeling and Simulation of Polymers I

Thursday, November 1, 2012: 8:30 AM
Butler East (Westin )
Description:
This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new modeling and simulation techniques, application of modeling and simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multiscale techniques for polymeric materials. ***Note to faculty candidates: please include a note to the session chair during submission to alert them to your status***

Sponsor:
Polymers
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

Chair:
Robert Riggleman
Email: rrig@seas.upenn.edu

Co-Chair:
Ahmed E. Ismail
Email: aei@alum.mit.edu

- indicates paper has an Extended Abstract file available on CD.


8:30 AM
(648a) Influence of Sequence Distribution Effects On the Phase Behavior and Interfacial Properties of Random Copolymers
Venkat Ganesan, Victor Pryamitsyn and Gunja Pandav

9:00 AM
(648b) Modeling Solvent-Gradient Chromatography of Complex Polymers Using Statistical Theory of Interaction Polymer Chromatography
Christopher J. Rasmussen, Yefim Brun, Brian McCauley and Alexander V. Neimark

9:20 AM
(648c) Impact of Solvent Quality On the Hysteresis in the Coil-Stretch Transition of Flexible Polymers
Rangarajan Radhakrishnan and Patrick T. Underhill

9:40 AM
(648d) Atomistic Molecular Dynamics Simulations of Model Ionomers
Dan S. Bolintineanu, Mark Stevens and Amalie L. Frischknecht

10:00 AM
(648e) Stochastic Splitting Methods for Numerical Simulation of Rouse Chains in Flow
Michael Howard and Scott Milner
File available
10:20 AM
(648f) Simulation of Polymer Crystal Growth with Various Morphologies Using a Phase-Field Model
Mohsen Asle Zaeem, Sasan Nouranian, Mark F. Horstemeyer and Paul T. Wang

10:40 AM
(648g) Reaction Coordinate for the Movement of Solvent Molecules in Glassy Amorphous Polymer
Li Xi and Bernhardt L. Trout
See more of this Group/Topical: Materials Engineering and Sciences Division
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